19-Hydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

19-Hydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

Common Name: 19-Hydroxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O2/c1-12(2)13-4-6-17-14(10-13)5-7-18-16-11-22-19(21)15(16)8-9-20(17,18)3/h4,6,10,12,18H,5,7-9,11H2,1-3H3/t18-,20+/m0/s1

InChIKey: InChIKey=FEUIRXLLMLGHDM-AZUAARDMSA-N

Formula: C20H24O2

Molecular Weight: 296.40336

Exact Mass: 296.17763

NMR Solvent: CDCl3

MHz: 400 (1H), 50 (13C)

Calibration: TMS

NMR references: 1H - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93.

Species: Tripterygium wilfordii - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93;

Notes: Carbon atoms in 13C spectrum not assigned.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.69 ddd 12.4, 12.4, 6.5
1b 2.5 m
2a 2.5 m
2b 2.37 m
5 2.7 m
6a 1.91 m
6b 1.91 m
7a 3 m
7b 3 m
11 7.25 ddd 8.1
12 7.03 dd 8.1, 1.5
15 2.82 sept 6.9
16 1.22 d 6.9
17 1.22 d 6.9
19 4.67 ABq 17.2
20 1.01 s

Carbon NMR Peaks

Position PPM
18.2
20.2
22.3
24
24
28.4
32.6
33.6
36.3
41.5
70.5
124.1
124.1
125
127.5
134.3
142.3
142.5
146.7
163
174.2